Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.6274   -1.6236    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3797   -0.4036   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437    0.1613   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196    1.4742   -0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4232    2.0418   -0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981    1.3027   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3230    0.0061    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531   -0.5416    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5118   -0.7386    0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.3147    0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682   -1.9911    0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    0.2101   -0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078    2.0087   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    3.0715   -0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066    1.7498   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0229   -1.5631    0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -1.8361    0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -0.5023    1.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187   -0.5115    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers